FORBIDDEN ROTATIONAL AND ROVIBRATIONAL TRANSITIONS IN H-3+ - 1ST PRINCIPLES CALCULATIONS

被引：35

作者：

MILLER, S ^{[1
]}

TENNYSON, J ^{[1
]}

SUTCLIFFE, BT ^{[1
]}

机构：

[1] UNIV YORK, DEPT CHEM, YORK YO1 5DD, N YORKSHIRE, ENGLAND

来源：

JOURNAL OF MOLECULAR SPECTROSCOPY | 1990年 / 141卷 / 01期

关键词：

D O I：

10.1016/0022-2852(90)90281-T

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

Calculations of the linestrengths and transition frequencies of the forbidden pure rotational spectrum of H3+ in the vibrationally excited ν2 state are presented. These transitions occur in the far-infrared region, and their observation may be complicated by ν1 - ν2 difference transitions. Examples of these are also given. Forbidden rovibrational transition frequencies and linestrengths have also been calculated in the frequency range 2000-3000 cm-1. The bands (ν2 + ν1) - ν2 and (2ν2 (l = 0) + ν1) - 2ν2 (l = 2) are found to be particularly strong. Possible phenomenological explanations for the observed line intensities are discussed. Two routes to obtaining the energy levels of the ν1 manifold of H3+ are suggested. © 1990.

引用

页码：104 / 117

页数：14

共 27 条

[1]

Aliev M. R., 1985, MOL SPECTROSCOPY MOD, VIII, P1, DOI DOI 10.1016/B978-0-12-580643-5.50006-3

[2] H+/3 - GEOMETRY DEPENDENCE OF ELECTRONIC PROPERTIES [J].

CARNEY, GD ;

PORTER, RN .

JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (11) :4251-4264

[3] CALCULATIONS OF THE RO-VIBRATIONAL ABSORPTION TRANSITION-PROBABILITIES IN TRIATOMIC-MOLECULES [J].

CARTER, S ;

SENEKOWITSCH, J ;

HANDY, NC ;

ROSMUS, P .

MOLECULAR PHYSICS, 1988, 65 (01) :143-160

[4] BENCHMARK CALCULATIONS OF 1ST PRINCIPLES ROTATIONAL AND RO-VIBRATIONAL LINE STRENGTHS [J].

CARTER, S ;

ROSMUS, P ;

HANDY, NC ;

MILLER, S ;

TENNYSON, J ;

SUTCLIFFE, BT .

COMPUTER PHYSICS COMMUNICATIONS, 1989, 55 (01) :71-75

[5] DETECTION OF H-3+ ON JUPITER [J].

DROSSART, P ;

MAILLARD, JP ;

CALDWELL, J ;

KIM, SJ ;

WATSON, JKG ;

MAJEWSKI, WA ;

TENNYSON, J ;

MILLER, S ;

ATREYA, SK ;

CLARKE, JT ;

WAITE, JH ;

WAGENER, R .

NATURE, 1989, 340 (6234) :539-541

[6] A NEW MORSE-OSCILLATOR BASED HAMILTONIAN FOR H-3+ - CALCULATION OF LINE STRENGTHS [J].

JENSEN, P ;

SPIRKO, V .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1986, 118 (01) :208-231

[7] THE V1 VIBRATION OF H-3(+) AND AUTO-IONIZING RYDBERG STATES OF H-3 [J].

KETTERLE, W ;

MESSMER, HP ;

WALTHER, H .

EUROPHYSICS LETTERS, 1989, 8 (04) :333-338

[8] VIBRATIONAL AUTOIONIZATION IN H-3 AND MEASUREMENTS OF THE SYMMETRIC-STRETCH FREQUENCY OF THE METASTABLE 2P 2A2'' STATE [J].

LEMBO, LJ ;

PETIT, A ;

HELM, H .

PHYSICAL REVIEW A, 1989, 39 (07) :3721-3724

[9] LABORATORY OBSERVATION OF THE 2V2 BAND OF THE H-3+ MOLECULAR ION [J].

MAJEWSKI, WA ;

FELDMAN, PA ;

WATSON, JKG ;

MILLER, S ;

TENNYSON, J .

ASTROPHYSICAL JOURNAL, 1989, 347 (01) :L51-L54

[10]

MAJEWSKI WA, 1987, J MOL SPECTROSC, V122, P567

← 1 2 3 →